1-[(3E,5E,6Z,7Z)-5,6-di(ethylidene)-9,10-dimethylundeca-3,7,9-trien-3-yl]-3-(2-fluoropropan-2-yl)pyrrolidine

C24H38FN — CID 137401550

IUPAC1-[(3E,5E,6Z,7Z)-5,6-di(ethylidene)-9,10-dimethylundeca-3,7,9-trien-3-yl]-3-(2-fluoropropan-2-yl)pyrrolidine
SMILESC/C=C(/C=C\C(C)=C(C)C)C(=C\C)\C=C(/CC)N1CCC(C(C)(C)F)C1
InChIInChI=1S/C24H38FN/c1-9-20(13-12-19(6)18(4)5)21(10-2)16-23(11-3)26-15-14-22(17-26)24(7,8)25/h9-10,12-13,16,22H,11,14-15,17H2,1-8H3/b13-12-,20-9-,21-10+,23-16+
InChIKeySCPGNCPWCPJBGR-CGUFZEBFSA-N
MW359.57 g/mol
LogP7.16
Rot. Bonds7

About 1-[(3E,5E,6Z,7Z)-5,6-di(ethylidene)-9,10-dimethylundeca-3,7,9-trien-3-yl]-3-(2-fluoropropan-2-yl)pyrrolidine

1-[(3E,5E,6Z,7Z)-5,6-di(ethylidene)-9,10-dimethylundeca-3,7,9-trien-3-yl]-3-(2-fluoropropan-2-yl)pyrrolidine (PubChem CID 137401550) has the molecular formula C24H38FN and a molecular weight of 359.57 g/mol. Its IUPAC name is 1-[(3E,5E,6Z,7Z)-5,6-di(ethylidene)-9,10-dimethylundeca-3,7,9-trien-3-yl]-3-(2-fluoropropan-2-yl)pyrrolidine.

Molecular Properties

Compound Name1-[(3E,5E,6Z,7Z)-5,6-di(ethylidene)-9,10-dimethylundeca-3,7,9-trien-3-yl]-3-(2-fluoropropan-2-yl)pyrrolidine
PubChem CID137401550
Molecular FormulaC24H38FN
Molecular Weight359.57 g/mol
Exact Mass359.30
IUPAC Name1-[(3E,5E,6Z,7Z)-5,6-di(ethylidene)-9,10-dimethylundeca-3,7,9-trien-3-yl]-3-(2-fluoropropan-2-yl)pyrrolidine
SMILESC/C=C(/C=C\C(C)=C(C)C)C(=C\C)\C=C(/CC)N1CCC(C(C)(C)F)C1
InChIInChI=1S/C24H38FN/c1-9-20(13-12-19(6)18(4)5)21(10-2)16-23(11-3)26-15-14-22(17-26)24(7,8)25/h9-10,12-13,16,22H,11,14-15,17H2,1-8H3/b13-12-,20-9-,21-10+,23-16+
InChIKeySCPGNCPWCPJBGR-CGUFZEBFSA-N
XLogP7.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.57
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3E,5E,6Z,7Z)-5,6-di(ethylidene)-9,10-dimethylundeca-3,7,9-trien-3-yl]-3-(2-fluoropropan-2-yl)pyrrolidine?
The IUPAC name of 1-[(3E,5E,6Z,7Z)-5,6-di(ethylidene)-9,10-dimethylundeca-3,7,9-trien-3-yl]-3-(2-fluoropropan-2-yl)pyrrolidine (CID 137401550) is 1-[(3E,5E,6Z,7Z)-5,6-di(ethylidene)-9,10-dimethylundeca-3,7,9-trien-3-yl]-3-(2-fluoropropan-2-yl)pyrrolidine.
What is the SMILES notation for 1-[(3E,5E,6Z,7Z)-5,6-di(ethylidene)-9,10-dimethylundeca-3,7,9-trien-3-yl]-3-(2-fluoropropan-2-yl)pyrrolidine?
The canonical SMILES for 1-[(3E,5E,6Z,7Z)-5,6-di(ethylidene)-9,10-dimethylundeca-3,7,9-trien-3-yl]-3-(2-fluoropropan-2-yl)pyrrolidine is C/C=C(/C=C\C(C)=C(C)C)C(=C\C)\C=C(/CC)N1CCC(C(C)(C)F)C1.
What is the InChIKey of 1-[(3E,5E,6Z,7Z)-5,6-di(ethylidene)-9,10-dimethylundeca-3,7,9-trien-3-yl]-3-(2-fluoropropan-2-yl)pyrrolidine?
The InChIKey is SCPGNCPWCPJBGR-CGUFZEBFSA-N. The full InChI is InChI=1S/C24H38FN/c1-9-20(13-12-19(6)18(4)5)21(10-2)16-23(11-3)26-15-14-22(17-26)24(7,8)25/h9-10,12-13,16,22H,11,14-15,17H2,1-8H3/b13-12-,20-9-,21-10+,23-16+.
What are the key properties of 1-[(3E,5E,6Z,7Z)-5,6-di(ethylidene)-9,10-dimethylundeca-3,7,9-trien-3-yl]-3-(2-fluoropropan-2-yl)pyrrolidine?
1-[(3E,5E,6Z,7Z)-5,6-di(ethylidene)-9,10-dimethylundeca-3,7,9-trien-3-yl]-3-(2-fluoropropan-2-yl)pyrrolidine has a molecular weight of 359.57 g/mol, XLogP of 7.16, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E,5E,6Z,7Z)-5,6-di(ethylidene)-9,10-dimethylundeca-3,7,9-trien-3-yl]-3-(2-fluoropropan-2-yl)pyrrolidine is sourced from PubChem (CID 137401550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).